Reaction Details Report a problem with these data
Target
Elongation of very long chain fatty acids protein 1
Ligand
BDBM50581561
Substrate
n/a
Meas. Tech.
ChEMBL_2151671 (CHEMBL5036133)
IC50
0.600000±n/a nM
Citation
 Boyd, MJ; Collier, PN; Clark, MP; Deng, H; Kesavan, S; Ronkin, SM; Waal, N; Wang, J; Cao, J; Li, P; Come, J; Davies, I; Duffy, JP; Cochran, JE; Court, JJ; Chandupatla, K; Jackson, KL; Maltais, F; O'Dowd, H; Boucher, C; Considine, T; Taylor, WP; Gao, H; Chakilam, A; Engtrakul, J; Crawford, D; Doyle, E; Phillips, J; Kemper, R; Swett, R; Empfield, J; Bunnage, ME; Charifson, PS; Magavi, SS Discovery of Novel, Orally Bioavailable Pyrimidine Ether-Based Inhibitors of ELOVL1. J Med Chem 64:17777-17794 (2021) [PubMed]  Article 
Target
Name:
Elongation of very long chain fatty acids protein 1
Synonyms:
ELOV1_HUMAN | ELOVL1 | SSC1
Type:
PROTEIN
Mol. Mass.:
32679.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_572241
Residue:
279
Sequence:
MEAVVNLYQEVMKHADPRIQGYPLMGSPLLMTSILLTYVYFVLSLGPRIMANRKPFQLRGFMIVYNFSLVALSLYIVYEFLMSGWLSTYTWRCDPVDYSNSPEALRMVRVAWLFLFSKFIELMDTVIFILRKKDGQVTFLHVFHHSVLPWSWWWGVKIAPGGMGSFHAMINSSVHVIMYLYYGLSAFGPVAQPYLWWKKHMTAIQLIQFVLVSLHISQYYFMSSCNYQYPVIIHLIWMYGTIFFMLFSNFWYHSYTKGKRLPRALQQNGAPGIAKVKAN
  
Inhibitor
Name:
BDBM50581561
Synonyms:
CHEMBL5075747
Type:
Small organic molecule
Emp. Form.:
C18H19FN6O
Mol. Mass.:
354.3815
SMILES:
Fc1cnn(c1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(65.28,-33.26,;64.37,-32.01,;62.83,-32.01,;62.36,-30.55,;63.59,-29.64,;64.85,-30.55,;63.6,-28.1,;64.68,-27.02,;63.6,-25.94,;62.51,-27.02,;63.6,-24.4,;64.93,-23.62,;64.93,-22.07,;66.26,-21.3,;67.6,-22.06,;69.08,-21.65,;69.48,-23.14,;68,-23.54,;70.82,-23.9,;70.98,-25.43,;72.49,-25.74,;73.25,-24.41,;72.22,-23.27,;63.59,-21.31,;62.27,-22.08,;62.26,-23.63,)|
Structure:
Search PDB for entries with ligand similarity: